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octadecyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate

octadecyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name:octadecyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
Openeye Name:octadecyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
CAS Name:4-benzamido-2-methyl-1H-pyrrole-3-carboxylic acid octadecyl ester
IUPAC Name:octadecyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
Traditional Name:4-benzamido-2-methyl-1H-pyrrole-3-carboxylic acid stearyl ester
Formula: C31H48N2O3
MolecularWeight: 496.72442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(NC=C1NC(=O)C2=CC=CC=C2)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(NC=C1NC(=O)C2=CC=CC=C2)C


InChI

InChI=1S/C31H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-36-31(35)29-26(2)32-25-28(29)33-30(34)27-22-19-18-20-23-27/h18-20,22-23,25,32H,3-17,21,24H2,1-2H3,(H,33,34)


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